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Structure of MurE from M.tuberculosis with dipeptide and ADP

X-ray diffraction
3Å resolution
PDB entry 2xja coloured by chain, front view.
PDB entry 2xja coloured by chain, side view.
PDB entry 2xja coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
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Multimeric state: monomeric
Accessible surface area: 19372.84 Å2
Buried surface area: 2241.19 Å2
Dissociation area: 76.88 Å2
Dissociation energy (ΔGdiss): 12.63 kcal/mol
Dissociation entropy (TΔSdiss): -1.46 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-161699
Assembly 2
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Assembly Name: UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
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Multimeric state: monomeric
Accessible surface area: 19326.75 Å2
Buried surface area: 2363.16 Å2
Dissociation area: 78.43 Å2
Dissociation energy (ΔGdiss): 12.18 kcal/mol
Dissociation entropy (TΔSdiss): -1.46 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-161699
Assembly 3
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Assembly Name: UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
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Multimeric state: monomeric
Accessible surface area: 19393.39 Å2
Buried surface area: 2306.66 Å2
Dissociation area: 84.16 Å2
Dissociation energy (ΔGdiss): 12.27 kcal/mol
Dissociation entropy (TΔSdiss): -1.46 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-161699
Assembly 4
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Assembly Name: UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
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Multimeric state: monomeric
Accessible surface area: 18959.34 Å2
Buried surface area: 2377.05 Å2
Dissociation area: 78.76 Å2
Dissociation energy (ΔGdiss): 11.86 kcal/mol
Dissociation entropy (TΔSdiss): -1.46 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-161699

Macromolecules

UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
Chains: A, B, C, D
Length: 535 amino acids
Theoretical weight: 55.45 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WJL3 (Residues: 1-535; Coverage: 100%)
Gene names: MTCY270.10, Rv2158c, murE
Pfam:
InterPro:
CATH:
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase in PDB entry 2xja, assembly 1, front view.
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase in PDB entry 2xja, assembly 1, side view.
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase in PDB entry 2xja, assembly 1, top view.
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